(E)-N-(4-methylpiperazin-1-yl)propan-1-imine

C8H17N3 — CID 153348561

IUPAC(E)-N-(4-methylpiperazin-1-yl)propan-1-imine
SMILESCC/C=N/N1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-3-4-9-11-7-5-10(2)6-8-11/h4H,3,5-8H2,1-2H3/b9-4+
InChIKeyXWYNSIVBMCBMOP-RUDMXATFSA-N
MW155.24 g/mol
LogP0.63
Rot. Bonds2

About (E)-N-(4-methylpiperazin-1-yl)propan-1-imine

(E)-N-(4-methylpiperazin-1-yl)propan-1-imine (PubChem CID 153348561) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-(4-methylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-(4-methylpiperazin-1-yl)propan-1-imine
PubChem CID153348561
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name(E)-N-(4-methylpiperazin-1-yl)propan-1-imine
SMILESCC/C=N/N1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-3-4-9-11-7-5-10(2)6-8-11/h4H,3,5-8H2,1-2H3/b9-4+
InChIKeyXWYNSIVBMCBMOP-RUDMXATFSA-N
XLogP0.63
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (E)-N-(4-methylpiperazin-1-yl)propan-1-imine (CID 153348561) is (E)-N-(4-methylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-N-(4-methylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (E)-N-(4-methylpiperazin-1-yl)propan-1-imine is CC/C=N/N1CCN(C)CC1.
What is the InChIKey of (E)-N-(4-methylpiperazin-1-yl)propan-1-imine?
The InChIKey is XWYNSIVBMCBMOP-RUDMXATFSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-4-9-11-7-5-10(2)6-8-11/h4H,3,5-8H2,1-2H3/b9-4+.
What are the key properties of (E)-N-(4-methylpiperazin-1-yl)propan-1-imine?
(E)-N-(4-methylpiperazin-1-yl)propan-1-imine has a molecular weight of 155.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 153348561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).